SCHEMBL217302

SCHEMBL217302

CC(C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
PSEN1 P49768 3/20 0.51
PSEN2 P49810 3/20 0.51
APH1B Q8WW43 3/20 0.51
NCSTN Q92542 3/20 0.51
APH1A Q96BI3 3/20 0.51
PSENEN Q9NZ42 3/20 0.51
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 3/20 0.50
CA3 P07451 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA13 Q8N1Q1 3/20 0.50
CA14 Q9ULX7 3/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5049911 0.94 MMP2 (0.53) ALDH1A1CYP3A4MAPK1PSEN1PSEN2
SCHEMBL10060475 0.87 ALDH1A1 (0.40) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL21515839 0.82 CA1 (0.52) ALDH1A1CYP3A4MAPK1PSEN1PSEN2
SCHEMBL105259 0.81 ALDH1A1 (0.50) ALDH1A1CA1CA2CA12CA9
SCHEMBL1811878 0.81 ALDH1A1 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL21226183 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPK1PSEN1PSEN2
SCHEMBL10060466 0.80 CA12 (0.46) CA1CA2CA12CA9CA14
SCHEMBL2027975 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1PSEN1PSEN2
SCHEMBL178444 0.78 GAA (0.56) ALDH1A1CYP3A4CA1CA2CA12
SCHEMBL14520771 0.78 ENPP2 (0.52) PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US claimed
US-20240217913-A2 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND HUA MEDICINE (SHANGHAI) LTD. (CN) 2024-07-04 US disclosed
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-20230312455-A1 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND HUA MEDICINE (SHANGHAI) LTD. (CN) 2023-10-05 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME PURDUE RESEARCH FOUNDATION 2023-06-08 US disclosed
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2022-01-06 US disclosed
WO-2020264187-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS JANETKA JAMES (US) 2020-12-30 WO disclosed
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
EP-1809607-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-07-25 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
WO-2006048754-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-05-11 WO disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARP15 ALDH1A1 1104/4885CYP3A4 1539/4885MAPK1 4113/4885
US-20230174506-A1 (DI)AMINATION OF ACTIVATED ALLENE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR SYNTHESIS OF THE SAME NAAA, PAM, AANAT ALDH1A1 583/4885CYP3A4 310/4885MAPK1 1976/4885
US-20230312455-A1 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND ACR, ADCYAP1R1, GNPAT ALDH1A1 76/4885CYP3A4 316/4885MAPK1 2428/4885
US-20240217913-A2 PREPARATION OF SUBSTITUTED ACRYLATE COMPOUND ACR, ADCYAP1R1, GNPAT ALDH1A1 76/4885CYP3A4 316/4885MAPK1 2428/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 ALDH1A1 165/4885CYP3A4 162/4885MAPK1 240/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885CYP3A4 1880/4885MAPK1 1/4885
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 ALDH1A1 827/4885CYP3A4 297/4885MAPK1 2376/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 ALDH1A1 4636/4885CYP3A4 4812/4885MAPK1 3740/4885
US-20060094750-A1 Sulfonyl benzimidazole derivatives TRPV1, CNR2, CNR1 ALDH1A1 2810/4885CYP3A4 1996/4885MAPK1 2217/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 ALDH1A1 1104/4885CYP3A4 1539/4885MAPK1 4113/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 ALDH1A1 165/4885CYP3A4 162/4885MAPK1 240/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.